4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine

C13H29N3 — CID 60923926

IUPAC4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)11-13(3)14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3
InChIKeyYICPSKLUWZSMDI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine

4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine (PubChem CID 60923926) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
PubChem CID60923926
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)11-13(3)14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3
InChIKeyYICPSKLUWZSMDI-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 54861123
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
CID 65338096
4-methyl-N-(4-methylpentan-2-yl)piperazin-1-amine
CID 83010481
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
CID 167270621

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine (CID 60923926) is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine is CC(C)CC(C)NCCN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The InChIKey is YICPSKLUWZSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)11-13(3)14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 60923926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).